2-aminobutan-1-ol
fo-3d28508b8676708a
Identity
- Type
- Neutral molecule
- CAS
- 96-20-8
- EC
- 202-488-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
14- (RS)-2-Amino-1-butanol
- (±)-2-Amino-1-butanol
- 1-(Hydroxymethyl)propylamine
- 1-Butanol, 2-amino-
- 1-Hydroxy-2-aminobutane
- 1-Hydroxy-2-butylamine
- 1-Hydroxy-sec-butylamine
- 1-Hydroxybutan-2-amine
- 2-Amino-1-butanol
- 2-Amino-1-hydroxybutane
- 2-Aminobutyl alcohol
- dl-2-Amino-1-butanol
- DL-2-Aminobutanol
- DL-α-Aminobutanol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | JCBPETKZIGVZRE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-aminobutan-1-ol |
| Molecular formula chemrof:molecular_formula | C4H11NO |
| Molecular mass chemrof:molecular_mass | 89.138 |
| Monoisotopic mass chemrof:monoisotopic_mass | 89.084064 |
| SMILES string chemrof:smiles_string | CCC(N)CO |
Known URLs
12Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=96-20-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.263 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.032.658 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60859935 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1068 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL327032 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N008Q02GPS | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245012 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.181D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22129 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27284318 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q72439068 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 14886ad1-de61-44d1-9942-06139767b22d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| f78cdefd-0bdd-4021-b976-ab7a751cd0c2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 45201a82-eca0-4a1c-bc6e-061dbae2e4b9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8e2e05e2-8d06-4a88-9d52-435c414a4e8a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| bb0fb4bb-fc38-4559-a147-2ca27569dc1f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 83f9201d-c758-4e18-9d0f-afea97af3fc6 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5af42c9b-ddde-4f6c-8628-5d1b862ade20 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5ff8a07b-40c9-4670-822e-ad9de9b1b350 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 7497584b-6dc0-4c4f-879b-fe819732d063 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5c58d171-4cf9-4bed-b6e9-5b0f654997d3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c20e9f01-f431-4e6f-8d8c-3c45fd9e82d7 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 720d486c-90aa-40c2-bec4-7498b5792dda | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| af3aa0d8-0b9c-44d1-a96d-a910525d1250 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=96-20-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"202-488-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-488-2"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works